Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | GCGR | P47871 | 1/20 | 0.45 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.42 |
| ▸ | DNMT3A | Q9Y6K1 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15577623 | 1.00 | ELANE (0.57) | ELANEPARP1PARP3HTR1AADRA1D | |
| SCHEMBL15577624 | 0.77 | KDM4E (0.53) | HTR1AADRA1DADRA1AADRA1BPTPN1 | |
| SCHEMBL15577910 | 0.77 | KDM4E (0.53) | HTR1AADRA1DADRA1AADRA1BPTPN1 | |
| SCHEMBL7504534 | 0.77 | HTR1A (0.51) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL899036 | 0.75 | PTPN1 (0.48) | HTR1AADRA1DADRA1AADRA1BPTPN1 | |
| SCHEMBL1053745 | 0.73 | ELANE (0.53) | ELANE | |
| SCHEMBL2722699 | 0.73 | ELANE (0.53) | ELANE | |
| SCHEMBL1902196 | 0.73 | PTPN1 (0.67) | HTR1AADRA1DADRA1AADRA1BPTPN1 | |
| SCHEMBL10362665 | 0.72 | ELANE (1.00) | ELANEPARP1PARP3 | |
| SCHEMBL29516922 | 0.72 | PTPN1 (0.51) | HTR1AADRA1DADRA1AADRA1BPTPN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | claimed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | claimed |